E683-0056 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide

E683-0056 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide
E683-0056 Screening compound: 2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E683-0056
2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E683-0056

Molecular Formula

C25H21ClFN3O2 (C25 H21 ClFN3 O2)

Compound Name

2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide

IUPAC name

2-(2-chloro-6-fluorophenyl)-N-{2-[(4-methoxyphenyl)amino]-4-methylquinolin-6-yl}acetamide

SMILES

Cc1c(cc(cc2)NC(Cc(c(F)ccc3)c3Cl)=O)c2nc(Nc(cc2)ccc2OC)c1

InChI

InChI=1S/C25H21ClFN3O2/c1-15-12-24(28-16-6-9-18(32-2)10-7-16)30-23-11-8-17(13-19(15)23)29-25(31)14-20-21(26)4-3-5-22(20)27/h3-13H,14H2,1-2H3,(H,28,30)(H,29,31)

InChI Key

NDTCXPRNOBXFKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.487

Distribution Coefficient, logD

6.486

Water Solubility, LogSw

-6.25

Polar Surface Area

48.470

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E683-0056 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E683-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E683-0056?
Check Price and Availability of E683-0056, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E683-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E683-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E683-0056
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E683-0056 available by request